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	hartrees
Energy at 0K	-94.531490
Energy at 298.15K	-94.534399
HF Energy	-94.531490
Nuclear repulsion energy	32.760388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3609	3423	12.26	96.77	0.61	0.75
2	A'	3458	3280	9.29	239.84	0.26	0.41
3	A'	2926	2775	141.28	127.11	0.44	0.61
4	A'	1737	1647	13.24	23.81	0.45	0.62
5	A'	1460	1385	17.74	8.35	0.43	0.60
6	A'	1420	1347	21.37	7.60	0.60	0.75
7	A'	1094	1038	22.15	8.20	0.59	0.74
8	A"	1166	1106	10.51	1.31	0.75	0.86
9	A"	797	756	205.98	0.71	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.792
N2	0.063	-0.524
H3	-1.012	1.082
H4	-0.749	-1.144
H5	0.948	-1.019

	C1	N2	H3	H4	H5
C1		1.3157	1.1132	2.0986	2.0154
N2	1.3157		1.9325	1.0212	1.0144
H3	1.1132	1.9325		2.2413	2.8734
H4	2.0986	1.0212	2.2413		1.7020
H5	2.0154	1.0144	2.8734	1.7020

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.353		C1	N2	H5	119.185
N2	C1	H3	105.131		H4	N2	H5	113.462

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.147
2	N	-0.658
3	H	0.101
4	H	0.338
5	H	0.366

	x	y	z	Total
	-1.222	-3.235	0.000	3.458
CHELPG
AIM
ESP

	x	y	z
x	2.704	-0.281	0.000
y	-0.281	3.599	0.000
z	0.000	0.000	1.427

<r²>	19.651
(<r²>)^1/2	4.433

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)